collaborators

1 paper

cond-mat.mtrl-sci2024

The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullene Single Molecule Magnets

Tanu Sharma, Rupesh Kumar Tiwari, Sourav Dey +3

This study presents the first-ever investigation of spin-phonon coupling mechanisms in fullerene-based single-molecule magnets (SMMs) using ab initio CASSCF combined with DFT calcu…